[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane

C17H20ClFO2 — CID 178142129

IUPAC[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane
SMILESCC.CCc1ccc(Oc2c(F)cccc2Cl)cc1CO
InChIInChI=1S/C15H14ClFO2.C2H6/c1-2-10-6-7-12(8-11(10)9-18)19-15-13(16)4-3-5-14(15)17;1-2/h3-8,18H,2,9H2,1H3;1-2H3
InChIKeyRKZBXCIEKJKPQR-UHFFFAOYSA-N
MW310.80 g/mol
LogP5.35
Rot. Bonds4

About [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane

[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane (PubChem CID 178142129) has the molecular formula C17H20ClFO2 and a molecular weight of 310.80 g/mol. Its IUPAC name is [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane.

Molecular Properties

Compound Name[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane
PubChem CID178142129
Molecular FormulaC17H20ClFO2
Molecular Weight310.80 g/mol
Exact Mass310.11
IUPAC Name[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane
SMILESCC.CCc1ccc(Oc2c(F)cccc2Cl)cc1CO
InChIInChI=1S/C15H14ClFO2.C2H6/c1-2-10-6-7-12(8-11(10)9-18)19-15-13(16)4-3-5-14(15)17;1-2/h3-8,18H,2,9H2,1H3;1-2H3
InChIKeyRKZBXCIEKJKPQR-UHFFFAOYSA-N
XLogP5.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.80
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-2-(4-fluorophenoxy)phenyl]methanol
CID 114067610
[5-[(2-chloro-6-fluorophenyl)methoxy]-2-(2-methylpropyl)phenyl]methanol
CID 178141229
[2-chloro-4-(3-ethylphenoxy)phenyl]methanol
CID 114064321
[2-(3-bromo-4-fluorophenoxy)-3-fluorophenyl]methanol
CID 114067647
1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanone
CID 43247767
[2-[(2-chloro-4-methylphenyl)methoxy]-3-fluorophenyl]methanol
CID 106864412
[3-chloro-2-(3,5-dichlorophenoxy)phenyl]methanol
CID 114067624
[4-[2-chloro-6-(hydroxymethyl)phenoxy]phenyl]methanol
CID 114067626
4-(4-chloro-3-ethylphenoxy)-3,5-difluorobenzenecarbothioamide
CID 81286204
(1R)-1-[2-(4-chloro-3-ethylphenoxy)-6-fluorophenyl]ethanamine
CID 63532581
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855
[2-[(2-chlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112613091

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane?
The IUPAC name of [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane (CID 178142129) is [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane.
What is the SMILES notation for [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane?
The canonical SMILES for [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane is CC.CCc1ccc(Oc2c(F)cccc2Cl)cc1CO.
What is the InChIKey of [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane?
The InChIKey is RKZBXCIEKJKPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2.C2H6/c1-2-10-6-7-12(8-11(10)9-18)19-15-13(16)4-3-5-14(15)17;1-2/h3-8,18H,2,9H2,1H3;1-2H3.
What are the key properties of [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane?
[5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane has a molecular weight of 310.80 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-chloro-6-fluorophenoxy)-2-ethylphenyl]methanol;ethane is sourced from PubChem (CID 178142129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).